Structure of PDB 2r8j Chain B Binding Site BS05

Receptor Information
>2r8j Chain B (length=509) Species: 4932 (Saccharomyces cerevisiae) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MSKFTWKELIQLGSPSKAYESSLACIAHIDMNAFFAQVEQMRCGLSKEDP
VVCVQWNSIIAVSYAARKYGISRMDTIQEALKKCSNLIPIHTAVFKKGED
FWQYHDGCGSWVQDPAKQISVEDHKVSLEPYRRESRKALKIFKSACDLVE
RASIDEVFLDLGRICFNMLMFDNEYELTGDLKLKDALSNIREAFIGGNYD
INSHLPLIPEKIKSLKFEGDVFNPEGRDLITDWDDVILALGSQVCKGIRD
SIKDILGYTTSCGLSSTKNVCKLASNYKKPDAQTIVKNDCLLDFLDCGKF
EITSFWTLGGVLGKELIDVLDLPHENSIKHIRETWPDNAGQLKEFLDAKV
KQSDYDRSTSNIDPLKTADLAEKLFKLSRGRYGLPLSSRPVVKSMMSNKN
LRGKSCNSIVDCISWLEVFCAELTSRIQDLEQEYNKIVIPRTVSISLKTK
SYEVYRKSGPVAYKGINFQSHELLKVGIKFVTDLDIKGKNKSYYPLTKLS
MTITNFDII
Ligand information
Ligand IDDCP
InChIInChI=1S/C9H16N3O13P3/c10-7-1-2-12(9(14)11-7)8-3-5(13)6(23-8)4-22-27(18,19)25-28(20,21)24-26(15,16)17/h1-2,5-6,8,13H,3-4H2,(H,18,19)(H,20,21)(H2,10,11,14)(H2,15,16,17)/t5-,6+,8+/m0/s1
InChIKeyRGWHQCVHVJXOKC-SHYZEUOFSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04O=P(O)(O)OP(=O)(O)OP(=O)(O)OCC2OC(N1C(=O)N=C(N)C=C1)CC2O
OpenEye OEToolkits 1.5.0C1C(C(OC1N2C=CC(=NC2=O)N)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O
CACTVS 3.341NC1=NC(=O)N(C=C1)[C@H]2C[C@H](O)[C@@H](CO[P@](O)(=O)O[P@](O)(=O)O[P](O)(O)=O)O2
OpenEye OEToolkits 1.5.0C1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)N)CO[P@@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O
CACTVS 3.341NC1=NC(=O)N(C=C1)[CH]2C[CH](O)[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)O2
FormulaC9 H16 N3 O13 P3
Name2'-DEOXYCYTIDINE-5'-TRIPHOSPHATE
ChEMBLCHEMBL560403
DrugBankDB03258
ZINCZINC000008215945
PDB chain2r8j Chain B Residue 3001 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB2r8j Bypass of DNA lesions generated during anticancer treatment with cisplatin by DNA polymerase eta
Resolution3.1 Å
Binding residue
(original residue number in PDB)		D30 N32 A33 F34 F35 I60 Y64 R67 R73 D155 K279
Binding residue
(residue number reindexed from 1)		D30 N32 A33 F34 F35 I60 Y64 R67 R73 D155 K279
Annotation score1
Enzymatic activity
Enzyme Commision number 2.7.7.7: DNA-directed DNA polymerase.
Gene Ontology
Molecular Function
GO:0003684 damaged DNA binding
Biological Process
GO:0006281 DNA repair

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:2r8j, PDBe:2r8j, PDBj:2r8j
PDBsum2r8j
PubMed17991862
UniProtQ04049|POLH_YEAST DNA polymerase eta (Gene Name=RAD30)

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